N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide

C21H21ClN2O2S — CID 7216569

IUPACN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-2-26-19-9-3-15(4-10-19)13-20(25)23-12-11-18-14-27-21(24-18)16-5-7-17(22)8-6-16/h3-10,14H,2,11-13H2,1H3,(H,23,25)
InChIKeyRLQSPJIQWJPSGA-UHFFFAOYSA-N
MW400.93 g/mol
LogP4.76
Rot. Bonds8

About N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 7216569) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide
PubChem CID7216569
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-2-26-19-9-3-15(4-10-19)13-20(25)23-12-11-18-14-27-21(24-18)16-5-7-17(22)8-6-16/h3-10,14H,2,11-13H2,1H3,(H,23,25)
InChIKeyRLQSPJIQWJPSGA-UHFFFAOYSA-N
XLogP4.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472629
2-(4-ethoxyphenyl)-N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}acetamide
CID 7216480
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-2-phenoxyacetamide
CID 7216557
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-3-(4-methoxyphenyl)propanamide
CID 7216563
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-2,4-dimethoxybenzamide
CID 7216579
2-(4-chlorophenoxy)-N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}acetamide
CID 7216597
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-3-methoxybenzamide
CID 7518350
2-(4-chlorophenoxy)-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}acetamide
CID 7522124
2-(4-Chlorophenyl)-4-{[2-(pyrrolidine-1-carbonyl)phenoxy]methyl}-1,3-thiazole
CID 11200377
2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 23613053
2-(3-chlorophenoxy)-N-(1-((2-(4-chlorophenyl)thiazol-4-yl)methyl)piperidin-4-yl)acetamide
CID 44562479
3-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 168278999

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide (CID 7216569) is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is RLQSPJIQWJPSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c1-2-26-19-9-3-15(4-10-19)13-20(25)23-12-11-18-14-27-21(24-18)16-5-7-17(22)8-6-16/h3-10,14H,2,11-13H2,1H3,(H,23,25).
What are the key properties of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide?
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 400.93 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 7216569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).